6-(BROMOMETHYL)-4-CHLORO-2-(TRIFLUOROMETHYL)-QUINOLINE

The Quinoline,6-(bromomethyl)-4-chloro-2-(trifluoromethyl)-, with the CAS registry number 123637-51-4, has the systematic name of 6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline. It belongs to the product categories of Quinoline & Isoquinoline. And the molecular formula of the chemical is C₁₁H₆BrClF₃N.

The characteristics of Quinoline,6-(bromomethyl)-4-chloro-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 992.85; (6)ACD/BCF (pH 7.4): 992.85; (7)ACD/KOC (pH 5.5): 4861.5; (8)ACD/KOC (pH 7.4): 4861.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 64.7 cm³; (15)Molar Volume: 191.7 cm³; (16)Polarizability: 25.65×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.692 g/cm³; (19)Flash Point: 146.2 °C; (20)Enthalpy of Vaporization: 53.73 kJ/mol; (21)Boiling Point: 318.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000688 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1nc2ccc(cc2c(Cl)c1)CBr
(2)InChI: InChI=1/C11H6BrClF3N/c12-5-6-1-2-9-7(3-6)8(13)4-10(17-9)11(14,15)16/h1-4H,5H2
(3)InChIKey: SJBKLFYWXYFAGT-UHFFFAOYAK